Directionality of dihydrogen bonds: the role of transition metal atoms.


A theoretical study on two series of electron-rich group 8 hydrides is carried out to evaluate involvement of the transition metal in dihydrogen bonding. To this end, the structural and electronic parameters are computed at the DFT/B3PW91 level for hydrogen-bonded adducts of [(PP(3))MH(2)] and [Cp*MH(dppe)] (M = Fe, Ru, Os; PP(3) = κ(4)-P(CH(2)CH(2)PPh(2… (More)
DOI: 10.1002/cphc.201200097


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